1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol

C20H22N4O — CID 10149903

IUPAC1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol
SMILESCN(C)c1ccc(-c2cc3ncccc3c(N3CCC(O)C3)n2)cc1
InChIInChI=1S/C20H22N4O/c1-23(2)15-7-5-14(6-8-15)18-12-19-17(4-3-10-21-19)20(22-18)24-11-9-16(25)13-24/h3-8,10,12,16,25H,9,11,13H2,1-2H3
InChIKeyKRUUHVKMARMIGU-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.93
Rot. Bonds3

About 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol

1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol (PubChem CID 10149903) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol
PubChem CID10149903
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol
SMILESCN(C)c1ccc(-c2cc3ncccc3c(N3CCC(O)C3)n2)cc1
InChIInChI=1S/C20H22N4O/c1-23(2)15-7-5-14(6-8-15)18-12-19-17(4-3-10-21-19)20(22-18)24-11-9-16(25)13-24/h3-8,10,12,16,25H,9,11,13H2,1-2H3
InChIKeyKRUUHVKMARMIGU-UHFFFAOYSA-N
XLogP2.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol (CID 10149903) is 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol is CN(C)c1ccc(-c2cc3ncccc3c(N3CCC(O)C3)n2)cc1.
What is the InChIKey of 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol?
The InChIKey is KRUUHVKMARMIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23(2)15-7-5-14(6-8-15)18-12-19-17(4-3-10-21-19)20(22-18)24-11-9-16(25)13-24/h3-8,10,12,16,25H,9,11,13H2,1-2H3.
What are the key properties of 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol?
1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol has a molecular weight of 334.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 10149903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).